Information card for entry 4032405

Structure parameters

• Formula: C24 H29 N3 O2
• Calculated formula: C24 H29 N3 O2
• SMILES: O=N(=O)c1ccc(c2n(cc(c2NC(C)(C)C)c2ccccc2)C(C)(C)C)cc1
• Title of publication: Synthesis of Polysubstituted 3-Amino Pyrroles via Palladium-Catalyzed Multicomponent Reaction.
• Authors of publication: Peng, Jianwen; Gao, Yang; Zhu, Chuanle; Liu, Bifu; Gao, Yinglan; Hu, Miao; Wu, Wanqing; Jiang, Huanfeng
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• a: 9.4413 ± 0.0019 Å
• b: 11.46 ± 0.002 Å
• c: 20.235 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2189.4 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0965
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1382
• Weighted residual factors for all reflections included in the refinement: 0.154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0226
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No